2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide

C12H15N5O — CID 55113606

IUPAC2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
SMILESCn1cc(CNc2ccc(CC(N)=O)cc2)nn1
InChIInChI=1S/C12H15N5O/c1-17-8-11(15-16-17)7-14-10-4-2-9(3-5-10)6-12(13)18/h2-5,8,14H,6-7H2,1H3,(H2,13,18)
InChIKeyLUMVMFIZQBVOFI-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.46
Rot. Bonds5

About 2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide

2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 55113606) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
PubChem CID55113606
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
SMILESCn1cc(CNc2ccc(CC(N)=O)cc2)nn1
InChIInChI=1S/C12H15N5O/c1-17-8-11(15-16-17)7-14-10-4-2-9(3-5-10)6-12(13)18/h2-5,8,14H,6-7H2,1H3,(H2,13,18)
InChIKeyLUMVMFIZQBVOFI-UHFFFAOYSA-N
XLogP0.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757929
N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide
CID 62755629
N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757581
4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine
CID 62756674
2-[4-[(4-ethylphenyl)methylamino]phenyl]acetamide
CID 43724073
2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]acetamide
CID 66116627
N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113794
[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
CID 62757407
2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 66415335
1-ethyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one
CID 62755967
1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone
CID 125419700

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide (CID 55113606) is 2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide is Cn1cc(CNc2ccc(CC(N)=O)cc2)nn1.
What is the InChIKey of 2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is LUMVMFIZQBVOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-8-11(15-16-17)7-14-10-4-2-9(3-5-10)6-12(13)18/h2-5,8,14H,6-7H2,1H3,(H2,13,18).
What are the key properties of 2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide?
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 55113606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).